Russian Journal of Organic Chemistry

, Volume 53, Issue 5, pp 777–784 | Cite as

Quantum-chemical investigation of the reaction mechanism of 2-methylimidazole with 1,7-diiodo-2,2,6,6-tetramethyl-2,6-disilaheptane

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Abstract

Quantum-chemical investigation of the mechanism of reaction between 2-methylimidazole and 1,7-diiodo-2,2,6,6-tetramethyl-2,6-disilaheptane by the method B3LYP/6-311G(d,p) provided thermodynamic and kinetic characteristics of the formation channels of the new organosilicon fused and cyclophane structures whose yield depended on the ability of iodomethyl groups to be reduced at the action of HI formed in situ. On adding iodine that initiated the formation of triiodide anions the cyclic structures were stabilized as ionic liquids.

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© Pleiades Publishing, Ltd. 2017

Authors and Affiliations

  1. 1.Favorskii Irkutsk Institute of Chemistry, Siberian BranchRussian Academy of SciencesIrkutskRussia
  2. 2.Irkutsk National Research Technical UniversityIrkutskRussia

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